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Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok et al. | Jun 24, 2022

Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

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Young People Drinking: The Effect of Group Size on Drinking Habits

Palermo et al. | May 10, 2018

Young People Drinking: The Effect of Group Size on Drinking Habits

Palermo et al. examined the effect of group size on drinking habits of college and high school students. The authors found that both high school and college students tended to consume the most alcohol in group sizes of 4 or more, independent of how frequently they drink. They also found that the proportion of college students that drink is nearly twice the proportion of high school students that drink. This study supports previous findings that underage drinking happens in large groups and suggests that effective intervention in underage drinking would be at the group level.

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The effect of music on teenagers in combatting stress and improving performance

Josyula et al. | Nov 16, 2024

The effect of music on teenagers in combatting stress and improving performance
Image credit: Stefany Andrade

Here, the researchers investigated how exposure to active versus passive music affects a teenager's ability to perform a challenging task, namely a Sudoku puzzle, under stressful conditions. Following testing 75 high school teenagers split into two group, the researchers found that singing in a choir (active music) yielded a greater improvement in performance compared to passive listening for brief time periods.

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Machine learning for retinopathy prediction: Unveiling the importance of age and HbA1c with XGBoost

Ramachandran et al. | Sep 05, 2024

Machine learning for retinopathy prediction: Unveiling the importance of age and HbA1c with XGBoost

The purpose of our study was to examine the correlation of glycosylated hemoglobin (HbA1c), blood pressure (BP) readings, and lipid levels with retinopathy. Our main hypothesis was that poor glycemic control, as evident by high HbA1c levels, high blood pressure, and abnormal lipid levels, causes an increased risk of retinopathy. We identified the top two features that were most important to the model as age and HbA1c. This indicates that older patients with poor glycemic control are more likely to show presence of retinopathy.

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Solubility of graphite and the efficacy of using its dissolved form as a conductive paste

Kirby et al. | Aug 23, 2024

Solubility of graphite and the efficacy of using its dissolved form as a conductive paste

This study explored the use of graphite's conductivity for circuit boards by creating a conductive paste through exfoliation with organic solvents and sonication. The combination of acetone and sonication was found to be the most effective, producing a high-conductivity paste with desirable properties such as a low boiling point. While not a replacement for wires, this conductive paste has potential applications in electronics and infrastructure, provided that key engineering challenges are addressed.

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Jet optimization using a hybrid multivariate regression model and statistical methods in dimuon collisions

Chunduri et al. | Jun 09, 2024

Jet optimization using a hybrid multivariate regression model and statistical methods in dimuon collisions
Image credit: Chunduri, Srinivas and McMahan, 2024.

Collisions of heavy ions, such as muons result in jets and noise. In high-energy particle physics, researchers use jets as crucial event-shaped observable objects to determine the properties of a collision. However, many ionic collisions result in large amounts of energy lost as noise, thus reducing the efficiency of collisions with heavy ions. The purpose of our study is to analyze the relationships between properties of muons in a dimuon collision to optimize conditions of dimuon collisions and minimize the noise lost. We used principles of Newtonian mechanics at the particle level, allowing us to further analyze different models. We used simple Python algorithms as well as linear regression models with tools such as sci-kit Learn, NumPy, and Pandas to help analyze our results. We hypothesized that since the invariant mass, the energy, and the resultant momentum vector are correlated with noise, if we constrain these inputs optimally, there will be scenarios in which the noise of the heavy-ion collision is minimized.

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Defying chemical tagging: inhomogeneities in the wide binary system HIP 34407/HIP 34426

Còdol et al. | Oct 05, 2023

Defying chemical tagging: inhomogeneities in the wide binary system HIP 34407/HIP 34426
Image credit: Pixabay

This assessed the hypothesis that stars in wide binary systems are chemically homogeneous because of their shared origin. Abundances of the HIP 34407/HIP 34426 binary were obtained by analyzing high-resolution spectra of the system. Discrepancies found in the system’s elemental abundances might be an indicator of the presence of rocky planets around this star. Thus, the differences found in chemical composition might demonstrate limitations in the assumptions of chemical tagging.

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The impact of genetic analysis on the early detection of colorectal cancer

Agrawal et al. | Aug 24, 2023

The impact of genetic analysis on the early detection of colorectal cancer

Although the 5-year survival rate for colorectal cancer is below 10%, it increases to greater than 90% if it is diagnosed early. We hypothesized from our research that analyzing non-synonymous single nucleotide variants (SNVs) in a patient's exome sequence would be an indicator for high genetic risk of developing colorectal cancer.

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